SCHEMBL456854

SCHEMBL456854

CCc1cnc(-c2ccc(C(F)(F)F)cc2)cc1N

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HEXA P06865 1/20 0.43
HEXB P07686 1/20 0.43
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
KDM1A O60341 2/20 0.42
MAOB P27338 1/20 0.42
FEN1 P39748 6/20 0.41
ALOX5AP P20292 5/20 0.41
TLR8 Q9NR97 1/20 0.41
KIF11 P52732 2/20 0.41
LTA4H P09960 1/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
HDAC1 Q13547 2/20 0.39
MAP4K4 O95819 1/20 0.39
CASP1 P29466 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL459060 0.80 SMN1; SMN2 (0.41) HEXAHEXBKDM1AMAOBTLR8
SCHEMBL457333 0.80 IDO1 (0.45) IDO1TDO2KDM1AMAOBFEN1
SCHEMBL458207 0.80 NPC1 (0.44) IDO1TDO2FEN1ALOX5AP
SCHEMBL1549179 0.75 FEN1 (0.46) IDO1TDO2KDM1AMAOBFEN1
SCHEMBL18068203 0.73 IDO1 (0.42) HEXAHEXBIDO1TDO2KDM1A
SCHEMBL14367955 0.73 ALDH1A1 (0.52) IDO1
SCHEMBL2056329 0.72 RAB9A (0.56) KDM1AMAOBKIF11LTA4H
SCHEMBL1549927 0.72 IDO1 (0.43) IDO1TDO2KDM1AMAOBFEN1
SCHEMBL1549277 0.72 IDO1 (0.40) IDO1TDO2KDM1AMAOBFEN1
SCHEMBL9952530 0.69 MAOB (0.60) KDM1AMAOBFEN1ALOX5APKIF11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3045450-B1 INTERMEDIATE COMPOUNDS IN PROCESSES FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2018-02-07 EP disclosed
EP-3045450-A1 INTERMEDIATE COMPOUNDS IN A PROCESS FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO., LTD. (JP) 2016-07-20 EP disclosed
EP-2614053-B1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATES THEREOF SUMITOMO CHEMICAL CO (JP) 2016-03-23 EP disclosed
US-9040709-B2 Method for producing pyridazinone compounds and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-26 US disclosed
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL CO (JP) 2014-12-25 US disclosed
US-8884010-B2 Method for producing pyridazinone compounds and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-11-11 US disclosed
EP-2614053-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-07-17 EP disclosed
US-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-04 US disclosed
WO-2012033225-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 HEXA 2932/4885HEXB 2506/4885IDO1 327/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 HEXA 2932/4885HEXB 2506/4885IDO1 327/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.